Information card for entry 4027563

Structure parameters

• Formula: C24 H18 I N O3
• Calculated formula: C24 H18 I N O3
• SMILES: Cc1ccc(cc1)c1c(c(c2c(C=O)cccn12)C(=O)c1ccc(cc1)OC)I
• Title of publication: Site-Selective Electrophilic Cyclization and Subsequent Ring-Opening: A Synthetic Route to Pyrrolo[1,2-a]quinolines and Indolizines
• Authors of publication: Trapti Aggarwal; Sonu Kumar; Devendra K. Dhaked; Rakesh K. Tiwari; Prasad V. Bharatam; Akhilesh K. Verma
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 8562 - 8573
• a: 30.5692 ± 0.0016 Å
• b: 7.513 ± 0.0003 Å
• c: 17.2889 ± 0.0008 Å
• α: 90°
• β: 90.341 ± 0.004°
• γ: 90°
• Cell volume: 3970.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No